Full-Text Search:
Home|Journal Papers|About CNKI|User Service|FAQ|Contact Us|中文
《Journal of Southwest University(Natural Science Edition)》 2009-01
Add to Favorite Get Latest Update

Theoretical Study on the Adsorption of Methanol over the Pt-Ni(111)/C Surface

XU Bo-hua1,WANG Yi-wei2,LI Lai-cai21. Department of Chemistry,Yangtze Normal University,Chongqing 408003,China;2. College of Chemistry,Sichuan Normal University,Chengdu 610066,China  
The density functional theory(DFT) and self-consistent periodic calculation were used to investigate methanol adsorption on Pt-Ni (111)/C surface. The adsorption energy,equilibrium geometry and vibrational frequency of CH3OH at four sites (top,fcc,hcp and bridge) on Pt-Ni (111)/C surface were predicted and the bridge site was found to be a desirable adsorption site for methanol. Comparing the adsorption energy of CH3OH and of CO on Pt (111)/C surface and on Pt-Ni (111)/C indicated that the adsorption energy of CO was higher than that of CH3OH on Pt (111)/C surface and lower than that of CH3OH on Pt-Ni (111)/C,suggesting that a toxic effect of CO existed on Pt (111)/C surface and that the catalyst Pt-Ni (111)/C was highly resistant to CO toxication and,therefore,is a good catalyst for methanol oxidation.
【Fund】: 重庆市教委自然科学基金资助项目(KJ071303)
【CateGory Index】: O643.36
Download(CAJ format) Download(PDF format)
CAJViewer7.0 supports all the CNKI file formats; AdobeReader only supports the PDF format.
【Citations】
Chinese Journal Full-text Database 1 Hits
1 LIU Shi-Bin, LIU Yong, SUN Yan-Ping*, ZHANG Zhong-Lin, HAO Xiao-Gang, LI Yi-Bing(Department of Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, China);Performance of Methanol Oxidation on Pt-M(M=Ni, Fe, Mo) Electro-Catalysts in Alkaline Media[J];Chemical Journal of Chinese Universities;2007-05
【Co-references】
Chinese Journal Full-text Database 6 Hits
1 LUO Yuanlai,LIANG Zhenxing,LIAO Shijun School of Chemistry and Chemical Engineering,South China University of Technology,Guangzhou 510641,Guangdong,China;Recent Development of Anode Electrocatalysts for Direct Methanol Fuel Cells[J];Chinese Journal of Catalysis;2010-02
2 WANG Xingli, WANG Hui, LEI Ziqiang, ZHANG Zhe, WANG Rongfang* Key Laboratory of Eco-Environment-Related Polymer Materials of Ministry of Education, Key Laboratory of Polymer Materials of Gansu Province, College of Chemistry and Chemical Engineering, Northwest Normal University, Lanzhou 730070, Gansu, China;The Performance of Carbon-Supported Platinum-Decorated Nickel Electrocatalyst for Ethanol Oxidation[J];Chinese Journal of Catalysis;2011-09
3 LI Jun,ZHANG Zhen(School of Chemistry and Chemical Engineering,South China University of Technology,Guangzhou 510640);Research Progress of PEMFC Catalyst and Improved Methods of Their Stability[J];Materials Review;2011-03
4 NI Meng,LIANG Guo-xi(Department of Mechanical Engineering,University of Hong Kong, Hong Kong, China);Development of alkaline fuel cells[J];Battery Bimonthly;2004-05
5 SONG Shu_qin 1 ,CHEN Li_kang 2 ,LIU Jian_guo 1 ,WEI Zhao_bin 1 ,XIN Qin 1* (1.Dalian Inst.Of Chem.Phys.,Chinese Acad.Of Sci.,Dalian 116023,China; 2.Anhui,Ningguo Tiancheng Electric Co.,LTD,Ningguo 242321,China);Preliminary Study on Direct Ethanol Fuel Cell[J];Electrochemistry;2002-01
6 SUI Sheng, GU Jun, Li Guang qiang, SUI Zhi tong (College of Materials and Metallurgy, Northeastern University, Shenyang Liaoning 110006, China);Progress in phosphoric acid fuel cell(PAFC)[J];CHINESE JOURNAL OF POWER SOURCES;2000-01
©2006 Tsinghua Tongfang Knowledge Network Technology Co., Ltd.(Beijing)(TTKN) All rights reserved